Ce3YTe6
Alexandria ALEXAlex-ID: agm006038449 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_18_spg14
Ce2Te3 Y2Te3
2023-09-23 22:08:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038449).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006038449
data_agm006038449
_cell_length_a 7.45328
_cell_length_b 8.37817
_cell_length_c 11.23760
_cell_angle_alpha 90.00000
_cell_angle_beta 91.28598
_cell_angle_gamma 90.00000
_cell_volume 701.55372
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.55125 0.88062 0.74564 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Ce3 Ce 0.44875 0.11938 0.25436 1.00000
Ce4 Ce 0.05125 0.61938 0.24564 1.00000
Ce5 Ce 0.00000 0.00000 0.50000 1.00000
Ce6 Ce 0.94875 0.38062 0.75436 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.66204 0.17402 0.92105 1.00000
Te2 Te 0.65742 0.17881 0.57494 1.00000
Te3 Te 0.66413 0.44679 0.25524 1.00000
Te4 Te 0.33587 0.55321 0.74476 1.00000
Te5 Te 0.34258 0.82119 0.42506 1.00000
Te6 Te 0.33796 0.82598 0.07895 1.00000
Te7 Te 0.16204 0.32598 0.42105 1.00000
Te8 Te 0.15742 0.32119 0.07494 1.00000
Te9 Te 0.16413 0.05321 0.75524 1.00000
Te10 Te 0.83587 0.94679 0.24476 1.00000
Te11 Te 0.84258 0.67881 0.92506 1.00000
Te12 Te 0.83796 0.67402 0.57895 1.00000
